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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03004118

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.78
2LP2-ALLYLPHENOLA1OV50.8
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.71
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.74
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.78
DESDIETHYLSTILBESTROLA,B3ERD0.78
DESDIETHYLSTILBESTROLA,B1TT60.78
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.78
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.83
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.83
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.83
RCORESORCINOLA,B,C,D,E,F2OMH0.83
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.83
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.83
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.83
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.83
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.76
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.7
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.72
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.72
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.72
4HP4-HYDROXYPHENYLACETATEA2YYJ0.72
4HP4-HYDROXYPHENYLACETATEA2YYM0.72
4HP4-HYDROXYPHENYLACETATEB1AI60.72
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.72
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.7
FFP2,6-DIFLUOROPHENOLA2INX0.83
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.7
BPYBIPHENYL-2,3-DIOLA1KMY0.72
BPYBIPHENYL-2,3-DIOLB1KW80.72
BPYBIPHENYL-2,3-DIOLA2EI30.72
BPYBIPHENYL-2,3-DIOLA1EIR0.72
BPYBIPHENYL-2,3-DIOLB1KW60.72
BPYBIPHENYL-2,3-DIOLB1KWC0.72
BPYBIPHENYL-2,3-DIOLB1KW90.72
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.71
SS11-PHENYLETHANOLH1UM50.7
2682-phenoxyethanolA2RBR0.72
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.74
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.7
DHCCAFFEIC ACIDA1KOU0.7
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.76
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.76
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.76
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.76
PCRP-CRESOLA1JHV0.82
PCRP-CRESOLA1JHU0.82
PCRP-CRESOLA,B,C,D1DIQ0.82
2612-ethoxyphenolX2RB10.74
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.78
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.78
PSYphenyl ethenesulfonateA3BM80.77
PSYphenyl ethenesulfonateA3BLT0.77
AEF4-(2-aminoethyl)phenolA3BRA0.71
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.72
FP22-fluorophenolA3CPO0.85
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.73
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.81
1NP1-NAPHTHOLX2ZVQ0.71
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.76
ETY4-ethylphenolA,B,C,D2RA60.83
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
STLRESVERATROLA,B3CKL0.74
STLRESVERATROLA,B,C,D1U0W0.74
STLRESVERATROLA1CGZ0.74
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.74
STLRESVERATROLA1Z1F0.74
STLRESVERATROLA1DVS0.74
STLRESVERATROLA,B1SG00.74
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.78
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.78
MCT4-METHYLCATECHOLA1L4G0.77
MCT4-METHYLCATECHOLA2EHZ0.77
MCT4-METHYLCATECHOLA,B1DMH0.77
2MP3,4-DIMETHYLPHENOLA1L5O0.79
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.7
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.7
2CH2-CHLOROPHENOLA1WBO0.76
SS2(1R)-1-PHENYLETHANOLA1ZK00.7
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.7
SS2(1R)-1-PHENYLETHANOLA1ZJY0.7
CAQCATECHOLB2BUY0.84
CAQCATECHOLA1KND0.84
CAQCATECHOLB2BUQ0.84
CAQCATECHOLA,B1DLT0.84
CAQCATECHOLA1XEP0.84
CAQCATECHOLA2PUM0.84
HC4A1TS60.76
HC4A3PHY0.76
HC4A3PYP0.76
HC4A1T1C0.76
HC4A1OT60.76
HC4A1TS00.76
HC4A1T1A0.76
HC4A2PYP0.76
HC4A2ZOI0.76
HC4A1OTI0.76
HC4A1XFQ0.76
HC4A2D010.76
HC4A,B,C,D,E,F,
G,H
2O7B0.76
HC4A2ZOH0.76
HC4A1GSW0.76
HC4A2QJ70.76
HC4A1F9I0.76
HC4X1UWP0.76
HC4A2PHY0.76
HC4A1T1B0.76
HC4A1F980.76
HC4A1T190.76
HC4X1UWN0.76
HC4A,B,C,D,E,F,
G,H
2O7F0.76
HC4A1UGU0.76
HC4A1TS80.76
HC4A,B1OTD0.76
HC4A1OTE0.76
HC4A1GSX0.76
HC4A1TS70.76
HC4A2PYR0.76
HC4A1S4S0.76
HC4A1GSV0.76
HC4A2I9V0.76
HC4A2QWS0.76
HC4A1XFN0.76
HC4A1S4R0.76
HC4A1T180.76
HC4A1OTA0.76
HC4A1D7E0.76
HC4A1S1Z0.76
HC4A,B,C1MZU0.76
HC4A,B1ODV0.76
HC4A,B2J3J0.76
HC4A2QJ50.76
HC4A1OTB0.76
HC4A2D020.76
HC4A1OT90.76
HC4A1NWZ0.76
HC4A1S1Y0.76
EPTHEPTANYL-P-PHENOLA,B1AHZ0.8
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.82
HTS2-MERCAPTOPHENOLA2OSM0.79
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.74
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.79
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.74
3CH3-CHLOROPHENOLA1LI30.78
IPHPHENOLA,B2OLD0.88
IPHPHENOLA,B,C,D2PZV0.88
IPHPHENOLA1LI20.88
IPHPHENOLA2J9N0.88
IPHPHENOLA,B,C,D2OMB0.88
IPHPHENOLA1JHX0.88
IPHPHENOLA,B,C,D2VE70.88
IPHPHENOLB,D,E,G,H,J,L1AI00.88
IPHPHENOLA,B,C,D1FOH0.88
IPHPHENOLA1V030.88
IPHPHENOLA,C,E,G,I,K5AIY0.88
IPHPHENOLB,D,F,H,J,L1AIY0.88
IPHPHENOLA,B1XU50.88
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.88
IPHPHENOLA,C,E,G,I,K4AIY0.88
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.88
IPHPHENOLA2AS30.88
IPHPHENOLA,B,C,D1ZEG0.88
IPHPHENOLA,B,C,D1PN00.88
IPHPHENOLA,B,C,D1XW70.88
IPHPHENOLA,C,E,G,I,K,M1QIY0.88
IPHPHENOLA,B,C,D1Q4V0.88
IPHPHENOLB1AI70.88
IPHPHENOLA1FJW0.88
IPHPHENOLB,C,D1RWE0.88
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.88
IPHPHENOLB,C,D3GKY0.88
IPHPHENOLA1JHY0.88
IPHPHENOLA,C,E,G,I,K3AIY0.88
IPHPHENOLA,B2OMN0.88
IPHPHENOLA,C,E,G,I,K2AIY0.88
IPHPHENOLA,B,D1MPJ0.88
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.88
IPHPHENOLB,C,D1LPH0.88
IOL4-IODOPHENOLA,B1EWA0.85
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.71
2BR2-BROMOPHENOLA,B,C,D2A9W0.78
TBP2,4,6-TRIBROMOPHENOLL1E5A0.72
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.71
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.76
EYK2-tert-butylbenzene-1,4-diolB3EYK0.76
FPN4-FLUOROPHENOLA,B1XVD0.85
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.76
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.7
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.74
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.73
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
MBD3-METHYLCATECHOLA1KNF0.76
43M4-CHLORO-3-METHYLPHENOLA2P7A0.71
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.71
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.72
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.74
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.74
CRSM-CRESOLA,B,C,D1EV30.81
CRSM-CRESOLA,B,C,D,E,F2OMG0.81
CRSM-CRESOLA,B1UZ90.81
CRSM-CRESOLA,B,C,D1ZEH0.81
CRSM-CRESOLA,B,C,D,E,F1ZEI0.81
CRSM-CRESOLA,C,D,E7INS0.81
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.81
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.76
BML4-BROMOPHENOLA,B,E3DHH0.78
BML4-BROMOPHENOLA,B1XU30.78
BML4-BROMOPHENOLA,B1T0S0.78